I lecture Biochemistry at a small University in Oporto. Although originally raised as an experimental Biochemist, I have since changed my research into theoretical and computational chemistry and biochemistry. In this blog, I will mostly commment on recent (or not so recent...) research papers that happen to have called my attention. I hope someone will find it interesting/useful :-)

Thursday, June 16, 2016

Planned papers (update 2)

Overall progress on my planned manuscripts:

the reactivity of P450 compound I towards 1,2-dihydroazaborines: in review

electron-transfer to oxygen vs. singlet-triplet crossings in a cofactor-free dioxygenase submitted to PeerJ on June 16th

the influence of solute-solvent dispersion/repulsion interactions on the behavior of molecular torsion balances. No progress since last update. I doubt this could ever become publishable :-(

the binding of rubromycin derivatives to telomerase and DNA polymerase. Analysis of the last 100 ns MD mostly complete

analysis of molecular determinants of inhibitor binding to monoamine oxidases A and B Analysis of the MD simulations almost complete

the reaction mechanism of copper-catalyzed addition of azides to iodoalkynes. No progress since last update

the reaction mechanism of copper-catalyzed aldol synthesis described by Marek No progress since last update

reactivity of MerB towards p-block organometallic compounds No progress since last update

computational develoment of lead compunds for inhibition of plasmid-borne DHFR No progress since last update

computational development of inhibitors of anthrax protective antigen cleavage by furin. No progress since last update